3-tert-butyl-5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1S)-1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O3/c1-13(16-19-17(20-26-16)18(2,3)4)21-9-11-22(12-10-21)14-5-7-15(8-6-14)23(24)25/h5-8,13H,9-12H2,1-4H3/p+1/t13-/m0/s1